1-chlorobutane;diethoxysilane

C8H21ClO2Si — CID 159160742

IUPAC1-chlorobutane;diethoxysilane
SMILESCCCCCl.CCO[SiH2]OCC
InChIInChI=1S/C4H9Cl.C4H12O2Si/c1-2-3-4-5;1-3-5-7-6-4-2/h2-4H2,1H3;3-4,7H2,1-2H3
InChIKeyKKLKKYNMGCMRNM-UHFFFAOYSA-N
MW212.79 g/mol
LogP2.08
Rot. Bonds6

About 1-chlorobutane;diethoxysilane

1-chlorobutane;diethoxysilane (PubChem CID 159160742) has the molecular formula C8H21ClO2Si and a molecular weight of 212.79 g/mol. Its IUPAC name is 1-chlorobutane;diethoxysilane.

Molecular Properties

Compound Name1-chlorobutane;diethoxysilane
PubChem CID159160742
Molecular FormulaC8H21ClO2Si
Molecular Weight212.79 g/mol
Exact Mass212.10
IUPAC Name1-chlorobutane;diethoxysilane
SMILESCCCCCl.CCO[SiH2]OCC
InChIInChI=1S/C4H9Cl.C4H12O2Si/c1-2-3-4-5;1-3-5-7-6-4-2/h2-4H2,1H3;3-4,7H2,1-2H3
InChIKeyKKLKKYNMGCMRNM-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.79
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chlorobutane;diethoxysilane?
The IUPAC name of 1-chlorobutane;diethoxysilane (CID 159160742) is 1-chlorobutane;diethoxysilane.
What is the SMILES notation for 1-chlorobutane;diethoxysilane?
The canonical SMILES for 1-chlorobutane;diethoxysilane is CCCCCl.CCO[SiH2]OCC.
What is the InChIKey of 1-chlorobutane;diethoxysilane?
The InChIKey is KKLKKYNMGCMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.C4H12O2Si/c1-2-3-4-5;1-3-5-7-6-4-2/h2-4H2,1H3;3-4,7H2,1-2H3.
What are the key properties of 1-chlorobutane;diethoxysilane?
1-chlorobutane;diethoxysilane has a molecular weight of 212.79 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobutane;diethoxysilane is sourced from PubChem (CID 159160742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).